1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one

C14H22N2O2 — CID 79183064

IUPAC1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
SMILESCCCC(=O)c1ccn(CC2CN(C)CCO2)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-14(17)12-5-6-16(9-12)11-13-10-15(2)7-8-18-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKeyHOYRUXQWRKUUEB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.80
Rot. Bonds5

About 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one

1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one (PubChem CID 79183064) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
PubChem CID79183064
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
SMILESCCCC(=O)c1ccn(CC2CN(C)CCO2)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-14(17)12-5-6-16(9-12)11-13-10-15(2)7-8-18-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3
InChIKeyHOYRUXQWRKUUEB-UHFFFAOYSA-N
XLogP1.80
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79108030
cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone
CID 79182022
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]butan-1-one
CID 79109205
[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanol
CID 79182796
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one
CID 114191635
2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79183159
1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-amine
CID 165465345
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde
CID 79182621
1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one
CID 158087137

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one?
The IUPAC name of 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one (CID 79183064) is 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one.
What is the SMILES notation for 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one?
The canonical SMILES for 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one is CCCC(=O)c1ccn(CC2CN(C)CCO2)c1.
What is the InChIKey of 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one?
The InChIKey is HOYRUXQWRKUUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-14(17)12-5-6-16(9-12)11-13-10-15(2)7-8-18-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one?
1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one has a molecular weight of 250.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one is sourced from PubChem (CID 79183064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).